CID 68997050

1423032-62-5

Structural Information

Molecular Formula
C8H14N4
SMILES
C1CNCCC1CN2C=CN=N2
InChI
InChI=1S/C8H14N4/c1-3-9-4-2-8(1)7-12-6-5-10-11-12/h5-6,8-9H,1-4,7H2
InChIKey
IRPFSJQQONMYDX-UHFFFAOYSA-N
Compound name
4-(triazol-1-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

166.12184 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.129116 137.8
[M+Na]+ 189.111058 143.4
[M-H]- 165.114564 136.7
[M+NH4]+ 184.155663 153.3
[M+K]+ 205.084998 140.5
[M+H-H2O]+ 149.119100 128.0
[M+HCOO]- 211.120041 153.7
[M+CH3COO]- 225.135691 148.3
[M+Na-2H]- 187.096506 142.5
[M]+ 166.12129142 131.4
[M]- 166.12238858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe